Sugi Predict

Sugi Predict / Compounds / SCHEMBL482479

SCHEMBL482479

SCHEMBL482479

Nc1cnc(-c2ccccc2)nc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ ADORA2A P29274 5/20 0.48
▸ ADORA1 P30542 4/20 0.48
▸ ADORA3 P0DMS8 2/20 0.48
▸ ADORA2B P29275 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ LMNA P02545 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ DPP4 P27487 1/20 0.46
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HTT P42858 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL4144361 0.98 NPC1 (0.48) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
Hydrochloric Acid SCHEMBL6470320 0.96 NPC1 (0.47) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
Hydrochloric Acid SCHEMBL6470317 0.96 NPC1 (0.47) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL11004346 0.82 LMNA (0.40) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL31515073 0.82 KMT2A (0.49) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL3297943 0.82 KMT2A (0.49) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31515074 0.82 KMT2A (0.49) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL27735106 0.82 FGFR1 (0.49) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL29859251 0.81 LMNA (0.61) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6409483 0.80 L3MBTL1 (0.50) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230006152-A1 METAL COMPLEX AND LIGHT EMITTING DEVICE CITY UNIVERSITY OF HONG KONG (HK) 2023-01-05 — — US disclosed
US-20220402955-A1 METAL COMPLEX AND LIGHT EMITTING DEVICE CITY UNIVERSITY OF HONG KONG (HK) 2022-12-22 — — US disclosed
CN-114555585-A HPK1 inhibitors and uses thereof 上海齐鲁锐格医药研发有限公司 2022-05-27 — — CN disclosed
CN-110088096-A Piperidine derivatives as inhibitors of ubiquitin-specific protease 7 阿尔麦克探索有限公司 2019-08-02 — — CN disclosed
US-9422271-B2 Pyrimidine compounds as tuberculosis inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-08-23 — — US disclosed
US-20140249137-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-04 — — US disclosed
WO-2013182612-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-12-12 — — WO disclosed
EP-2457913-A2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2012-05-30 — — EP disclosed
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 — — EP disclosed
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 — — US disclosed
US-20080161326-A1 Novel Sulfone Amide Amide Derivatives MSD K.K. (JP) 2008-07-03 — — US disclosed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 — — WO disclosed
CN-1993362-A Fused Heterocyclic Compounds TAKEDA PHARMACEUTICAL (JP) 2007-07-04 — — CN disclosed
CN-1922155-A Novel Sulfonamide Derivatives BANYU PHARMA CO LTD (JP) 2007-02-28 — — CN disclosed
EP-1719765-A1 NOVEL SULFONE AMIDE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-08 — — EP disclosed
US-20060205750-A1 Novel benzimidazole derivatives MSD K.K. (JP) 2006-09-14 — — US disclosed
US-7105526-B2 Benzimidazole derivatives BANYU PHARMACEUTICALS CO., LTD. (JP) 2006-09-12 — — US disclosed
EP-1517908-A2 NOVEL BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-03-30 — — EP disclosed
US-20040054177-A1 Novel benzimidazole derivatives MSD K.K. (JP) 2004-03-18 — — US disclosed
WO-2004002986-A2 NOVEL BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040054177-A1 Novel benzimidazole derivatives OPRM1, OPRK1, HTR7 NPC1 784/4885RAB9A 3611/4885SMN1; SMN2 298/4885
US-20060205750-A1 Novel benzimidazole derivatives NPY4R, NPY5R, NPY1R NPC1 1214/4885RAB9A 3349/4885SMN1; SMN2 245/4885
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA NPC1 637/4885RAB9A 2099/4885SMN1; SMN2 3319/4885
US-20230006152-A1 METAL COMPLEX AND LIGHT EMITTING DEVICE OCIAD1, OCIAD2, OPRD1 NPC1 957/4885RAB9A 2110/4885SMN1; SMN2 4453/4885
US-20220402955-A1 METAL COMPLEX AND LIGHT EMITTING DEVICE OCIAD1, OCIAD2, OSTC NPC1 1115/4885RAB9A 1824/4885SMN1; SMN2 4138/4885
US-20080161326-A1 Novel Sulfone Amide Amide Derivatives NPY1R, NPY2R, NPY5R NPC1 3164/4885RAB9A 2356/4885SMN1; SMN2 589/4885
US-20140249137-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS TYMS, TYMP, DPYD NPC1 1434/4885RAB9A 2419/4885SMN1; SMN2 4808/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.